P-terphenyl - analytical standard, Moligand™, ≥99.5%(GC), for environmental analysis , CAS No.92-94-4

CAS: 92-94-4 Cat. No.: T118585 Molecular Weight: 230.31 Beilstein Registry Number: 1908447 EC Number: 202-205-2 PubChem CID: 7115

GRADE & PURITY Analytical standard, Moligand™, ≥99.5%(GC), for environmental analysis

Synonyms

AC-18695 | EINECS 202-205-2 | NCGC00164113-01 | WLN: RR DR | 1,1'-Biphenyl, 4-phenyl- | AI3-00847 | InChI=1/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14 | p-Terphenyl, suitable for scintillation, >=98.5% (HPLC) | MFCD00003061 | NSC 6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-18695 | EINECS 202-205-2 | NCGC00164113-01 | WLN: RR DR | 1, 1'-Biphenyl, 4-phenyl- | AI3-00847 | InChI=1/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14 | p-Terphenyl, suitable for scintillation, >=98.5% (HPLC) | MFCD00003061 | NSC 6

Specifications & Purity

analytical standard, Moligand™, ≥99.5%(GC), for environmental analysis

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard, Moligand™

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
• IUPAC Name: 1,4-diphenylbenzene
• InChIKey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N
• INCHI: 1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
• WGK Germany: 2
• RTECS: WZ6475000
• PubChem CID: 7115
• Molecular Weight: 230.31
• Beilstein: 1908447

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Terphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: P-terphenyls
• Alternative Parents: Biphenyls and derivatives Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-terphenyl - Biphenyl - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
• External Descriptors: para-terphenyl

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 389 °C
• Melt Point(°C): 211 °C
• Molecular Weight: 230.300 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 230.11 Da
• Monoisotopic Mass: 230.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 198.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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55. Bo Yang, Jianyi Qin, Umar Wahid, Xibao Chen, Rui Cai, Zhongfu Zhao, Wei Liu, Chunqing Zhang.  (2025)  Design of Rigid Biphenyl-Pyridine Copolymers with Twisted Structures for High-Performance Epoxy Composites.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c01861]

56. Sihan Li, Yingqing Zhan, Jie Liu, Xinyue Duan, Junlei Tang, Wei Zhao, Ping Zhang.  (2025)  High free-volume hyperbranched poly(aryl piperidinium) anion exchange membranes based on noncoplanar V-shaped Tröger Base-Carbazole derivative with synergistic enhancement of ionic conductivity and dimensional stability for water electrolysis.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124751]

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